Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002872

Phytochemical name: Linalyl formate

Synonymous chemical names:
Linalyl formate, linalyl formate

External chemical identifiers:
CID:CID_61040, ChEMBL:CHEMBL3185940, FDASRS:3V67WH3R5N, SureChEMBL:SCHEMBL135163

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Chemical structure information

SMILES:
O=COC(CCC=C(C)C)(C=C)C

InChI:
InChI=1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3

InChIKey:
JZOCDHMHLGUPFI-UHFFFAOYSA-N

DeepSMILES:
O=COCCCC=CC)C)))))C=C))C

Functional groups:
COC=O, CC=C(C)C, C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.925

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Chemical structure download